Water on actinide dioxide surfaces: a review of recent progress

G Wang, ER Batista, P Yang - Applied Sciences, 2020 - mdpi.com
The fluorite structured actinide dioxides (AnO2), especially UO2, are the most common
nuclear fuel materials. A comprehensive understanding of their surface chemistry is critical …

Oxygen vacancies role in thermally driven and photon driven catalytic reactions

H Idriss - Chem Catalysis, 2022 - cell.com
Surface and subsurface oxygen vacancies play a crucial role in catalysis. Their formation
requires considerable energy, which is mostly provided by reducing chemical compounds …

[HTML][HTML] General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides

BX Shi, V Kapil, A Zen, J Chen, A Alavi… - The Journal of …, 2022 - pubs.aip.org
The O vacancy (Ov) formation energy, E Ov, is an important property of a metal-oxide,
governing its performance in applications such as fuel cells or heterogeneous catalysis …

Disentangling the role of oxygen vacancies on the surface of Fe 3 O 4 and γ-Fe 2 O 3

W Jian, SP Wang, HX Zhang, FQ Bai - Inorganic Chemistry Frontiers, 2019 - pubs.rsc.org
The outstanding performance of Fe3O4 and γ-Fe2O3 as catalysts in various iron oxides
strongly depends on their crystal structure. However, with the development of mechanistic …

Investigation of modifying anti-sintering and oxygen uncoupling performance of CuO/TiO2 by MgO addition: Novel oxygen carrier

S Abuelgasim, T Li, Y Cao, W Wang… - Separation and …, 2022 - Elsevier
Copper-based oxygen carrier is a strong candidate for commercial-scale chemical looping
technology due to its high reactivity. In contrast, it has poor attrition and sintering resistance …

Optimizing oxygen uncoupling performance and stability of novel MgO/TiO2 supported CuO oxygen carrier: Effect of impregnation steps and ZrO2 addition

S Abuelgasim, W Wang, T Li, Y Cao… - Separation and …, 2023 - Elsevier
In our ongoing campaign, we are attempting to address the inferior stability of CuO oxygen
carrier because it has exceptional reactivity in the chemical looping field ascribed to its …

[HTML][HTML] Composition-dependent morphology of stoichiometric and oxygen deficient PuO2 nanoparticles in the presence of H2O and CO2: A density-functional theory …

S Moxon, JM Flitcroft, LJ Gillie, DJ Cooke… - Applied Surface …, 2024 - Elsevier
Among the most pressing challenges faced by the UK nuclear industry is how to safely
handle its large stockpile of plutonium dioxide. In particular, understanding how the exposed …

Effect of oxygen vacancies, lattice distortions and secondary phase on the structural, optical, dielectric and ferroelectric properties in Cd-doped Bi2Ti2O7 nanoparticles

K Yadav, A Gaur, KK Haldar - Materials Research Bulletin, 2021 - Elsevier
Abstract (Bi 1-x Cd x) 2 Ti 2 O 7 (x= 0.00, 0.02, 0.04, 0.06, 0.08, 0.10 and 0.12) nanoparticles
are synthesised using the co-precipitation method. The prepared samples show pyrochlore …

Sulfur Vacancy Clustering and Its Impact on Electronic Properties in Pyrite FeS2

D Ray, B Voigt, M Manno, C Leighton… - Chemistry of …, 2020 - ACS Publications
A sulfur vacancy-related defect has been recently experimentally identified as the source of
unintentional n-type doping in pyrite FeS2, a potential earth-abundant, nontoxic, ultralow …

Intrinsic oxygen defects in UO2 (1 1 1) and PuO2 (1 1 1) surfaces

W Lv, Z Zhao, B Sun, P Guan, Y Yang, P Zhang - Applied Surface Science, 2023 - Elsevier
Density functional theory (DFT)+ U combined with the first principle atomistic thermodynamic
method was employed to study the physical properties of intrinsic oxygen defects in (1 1 1) …